ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate

C12H10ClNO3 — CID 135735505

IUPACethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(O)ccc2c1Cl
InChIInChI=1S/C12H10ClNO3/c1-2-17-12(16)9-6-14-10-5-7(15)3-4-8(10)11(9)13/h3-6,15H,2H2,1H3
InChIKeyWUPOBEMRFWSENZ-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.77
Rot. Bonds2

About ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate

ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate (PubChem CID 135735505) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
PubChem CID135735505
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Nameethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(O)ccc2c1Cl
InChIInChI=1S/C12H10ClNO3/c1-2-17-12(16)9-6-14-10-5-7(15)3-4-8(10)11(9)13/h3-6,15H,2H2,1H3
InChIKeyWUPOBEMRFWSENZ-UHFFFAOYSA-N
XLogP2.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132
ethyl 4-chloro-6-propylquinoline-3-carboxylate
CID 30058351
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
ethyl 4,6-dichloro-7-(trifluoromethyl)quinoline-3-carboxylate
CID 66487307
ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate
CID 63180358
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate
CID 1479090
ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
CID 46397906

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate (CID 135735505) is ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(O)ccc2c1Cl.
What is the InChIKey of ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate?
The InChIKey is WUPOBEMRFWSENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-2-17-12(16)9-6-14-10-5-7(15)3-4-8(10)11(9)13/h3-6,15H,2H2,1H3.
What are the key properties of ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate?
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate has a molecular weight of 251.67 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate is sourced from PubChem (CID 135735505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).